1,3-Dihydroxy-1,3-diazepan-2-one
Basic information
- CAS
287489-97-8- Standard SMILES
O=C1N(O)CCCCN1O- InChIKey
ZVIBBAOCTXQGAG-UHFFFAOYSA-N- Molecular formula
- C5H10N2O3
- Average molar mass
- 146.14 g/mol
- Monoisotopic mass
- 146.06914219
Names & identifiers
- Preferred name
- 1,3-Dihydroxy-1,3-diazepan-2-one
- IUPAC
- 1,3-dihydroxy-1,3-diazepan-2-one
- English name
- 2H-1,3-Diazepin-2-one, hexahydro-1,3-dihydroxy- (9CI)
- Molecular formula
- C5H10N2O3
- Molecular weight
- 146.1445
Names & synonyms
CHEMBL4785156SCHEMBL29941563BDBM505555521,3-dihydroxy-1,3-diazepan-2-one2H-1,3-Diazepin-2-one, hexahydro-1,3-dihydroxy- (9CI)
Database identifiers
- CAS
287489-97-8- PubChem CID
- 10486987
- ChEMBL
CHEMBL4785156- Nikkaji
- J1.424.315A
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 125
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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